Index

Restraints dictionary version 3.1

Category RESTR_PARAMETER_CLASS

Parent category:
CIF_RSTR

Definition:

   

      This restraint, which will normally be used to restrain
      the total occupancy of an atom site, can be used to
      restrain the value of
      SUM(over the specified atoms){\PARAMETER*COEFFICIENT\}
      where PARAMETER will usually be the value of the occupancy
      (but other allowed quantities such as x, y and z can be
      specified in the enumeration) and COEFFICIENT is a user-defined
      number with a default value of 1.0.
      The restraint requires two loops, the first defines the
      atoms in each sum (class) and the second describes the
      properties of the class.

Category is of type Loop